(3aR,4R,6aR)-3,4-dihydroxy-1,3,3a,4,5,6a-hexahydrocyclopenta[c]furan-6-one

C7H10O4 — CID 15934581

IUPAC(3aR,4R,6aR)-3,4-dihydroxy-1,3,3a,4,5,6a-hexahydrocyclopenta[c]furan-6-one
SMILESO=C1C[C@@H](O)[C@@H]2C(O)OC[C@H]12
InChIInChI=1S/C7H10O4/c8-4-1-5(9)6-3(4)2-11-7(6)10/h3,5-7,9-10H,1-2H2/t3-,5-,6-,7?/m1/s1
InChIKeyBNZASCVDNDJMDB-HJZCUYRDSA-N
MW158.15 g/mol
LogP-1.10
Rot. Bonds

About (3aR,4R,6aR)-3,4-dihydroxy-1,3,3a,4,5,6a-hexahydrocyclopenta[c]furan-6-one

(3aR,4R,6aR)-3,4-dihydroxy-1,3,3a,4,5,6a-hexahydrocyclopenta[c]furan-6-one (PubChem CID 15934581) has the molecular formula C7H10O4 and a molecular weight of 158.15 g/mol. Its IUPAC name is (3aR,4R,6aR)-3,4-dihydroxy-1,3,3a,4,5,6a-hexahydrocyclopenta[c]furan-6-one.

Molecular Properties

Compound Name(3aR,4R,6aR)-3,4-dihydroxy-1,3,3a,4,5,6a-hexahydrocyclopenta[c]furan-6-one
PubChem CID15934581
Molecular FormulaC7H10O4
Molecular Weight158.15 g/mol
Exact Mass158.06
IUPAC Name(3aR,4R,6aR)-3,4-dihydroxy-1,3,3a,4,5,6a-hexahydrocyclopenta[c]furan-6-one
SMILESO=C1C[C@@H](O)[C@@H]2C(O)OC[C@H]12
InChIInChI=1S/C7H10O4/c8-4-1-5(9)6-3(4)2-11-7(6)10/h3,5-7,9-10H,1-2H2/t3-,5-,6-,7?/m1/s1
InChIKeyBNZASCVDNDJMDB-HJZCUYRDSA-N
XLogP-1.10
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.15
LogP ≤ 5-1.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (3aR,4R,6aR)-3,4-dihydroxy-1,3,3a,4,5,6a-hexahydrocyclopenta[c]furan-6-one with MolForge

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Related Compounds

5-hydroxy-2-methoxy-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-4-carbaldehyde
CID 21498956
(6aS)-5-hydroxy-2-methoxy-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-4-carbaldehyde
CID 22788203
(2S,3aR,5S,6aS)-5-hydroxy-2-methoxy-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-4-carbaldehyde
CID 88839303
(2S,3aS,4S,5S,6aR)-5-hydroxy-2-methoxy-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-4-carbaldehyde
CID 88839304
(2S,3aR,5S)-5-hydroxy-2-methoxy-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-4-carbaldehyde
CID 88839326
(2S,3aS,4S,5S)-5-hydroxy-2-methoxy-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-4-carbaldehyde
CID 88839327
(2S,3aS,4R,5S,6aR)-5-hydroxy-2-methoxy-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-4-carbaldehyde
CID 88843711
(3R,3aR,6S,6aS)-2,3,6-trihydroxy-2,3,3a,4,6,6a-hexahydrocyclopenta[b]furan-5-one
CID 131981236
(3aS,6aR)-3-hydroxy-1,3,3a,4,5,6a-hexahydrocyclopenta[c]furan-6-one
CID 11126369
(3R,3aR,6S)-2,3,6-trihydroxy-2,3,3a,4,6,6a-hexahydrocyclopenta[b]furan-5-one
CID 49788398
methyl (1R,3aR,4R,5S,6aR)-5-hydroxy-1-methoxy-3-oxo-1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan-4-carboxylate
CID 101055807
methyl (1S,3aS,4S,5R,6aS)-5-hydroxy-1-methoxy-3-oxo-1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan-4-carboxylate
CID 101055808

Frequently Asked Questions

What is the IUPAC name of (3aR,4R,6aR)-3,4-dihydroxy-1,3,3a,4,5,6a-hexahydrocyclopenta[c]furan-6-one?
The IUPAC name of (3aR,4R,6aR)-3,4-dihydroxy-1,3,3a,4,5,6a-hexahydrocyclopenta[c]furan-6-one (CID 15934581) is (3aR,4R,6aR)-3,4-dihydroxy-1,3,3a,4,5,6a-hexahydrocyclopenta[c]furan-6-one.
What is the SMILES notation for (3aR,4R,6aR)-3,4-dihydroxy-1,3,3a,4,5,6a-hexahydrocyclopenta[c]furan-6-one?
The canonical SMILES for (3aR,4R,6aR)-3,4-dihydroxy-1,3,3a,4,5,6a-hexahydrocyclopenta[c]furan-6-one is O=C1C[C@@H](O)[C@@H]2C(O)OC[C@H]12.
What is the InChIKey of (3aR,4R,6aR)-3,4-dihydroxy-1,3,3a,4,5,6a-hexahydrocyclopenta[c]furan-6-one?
The InChIKey is BNZASCVDNDJMDB-HJZCUYRDSA-N. The full InChI is InChI=1S/C7H10O4/c8-4-1-5(9)6-3(4)2-11-7(6)10/h3,5-7,9-10H,1-2H2/t3-,5-,6-,7?/m1/s1.
What are the key properties of (3aR,4R,6aR)-3,4-dihydroxy-1,3,3a,4,5,6a-hexahydrocyclopenta[c]furan-6-one?
(3aR,4R,6aR)-3,4-dihydroxy-1,3,3a,4,5,6a-hexahydrocyclopenta[c]furan-6-one has a molecular weight of 158.15 g/mol, XLogP of -1.10, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,4R,6aR)-3,4-dihydroxy-1,3,3a,4,5,6a-hexahydrocyclopenta[c]furan-6-one is sourced from PubChem (CID 15934581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).